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Compound Detail

CHEMBL5505937

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COc1ccc2c(c1)/C(=C/c1ncc[nH]1)C(=O)N2

Basic Information

ChEMBL ID CHEMBL5505937
Phase Preclinical
Structure Type MOL
InChI Key XSQOMVMDEZLPES-YFHOEESVSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

241.2
MW (Da)
1.91
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H11N3O2
MW 241.25
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.55

Activity Summary

IC50 1 meas. best 6.42

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase tousled-like 2
CHEMBL5404
IC50 6.42 6.42 380.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38636130 10.1016/j.ejmech.2024.116357 Serine/threonine-protein kinase tousled-like 2 1
38636130 10.1016/j.ejmech.2024.116357 Receptor-type tyrosine-protein kinase FLT3 1
38636130 10.1016/j.ejmech.2024.116357 NT-3 growth factor receptor 1

Data from ChEMBL 36 via Core Engine